| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2008 | 29 | No |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.68 | 8.98 | -63.2 | 0 | 5 | -1 | 73 | 387.39 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 10.51 | -23.07 | 0 | 5 | 0 | 67 | 388.398 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.68 | 9.81 | -13.88 | 1 | 5 | 0 | 71 | 388.398 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.68 | 10.09 | -45.55 | 2 | 5 | 1 | 72 | 389.406 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.10 | 10.79 | -57.06 | 1 | 5 | 1 | 69 | 389.406 | 5 | ↓ |
